3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one

C18H26N2O — CID 63021498

IUPAC3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
SMILESCCCCC(CC)Cn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-20-17-10-7-6-9-15(17)11-16(12-19)18(20)21/h6-7,9-11,14H,3-5,8,12-13,19H2,1-2H3
InChIKeyZNDKOYOEGBWJOY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.68
Rot. Bonds7

About 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one

3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one (PubChem CID 63021498) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
PubChem CID63021498
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one
SMILESCCCCC(CC)Cn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-20-17-10-7-6-9-15(17)11-16(12-19)18(20)21/h6-7,9-11,14H,3-5,8,12-13,19H2,1-2H3
InChIKeyZNDKOYOEGBWJOY-UHFFFAOYSA-N
XLogP3.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one (CID 63021498) is 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one is CCCCC(CC)Cn1c(=O)c(CN)cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one?
The InChIKey is ZNDKOYOEGBWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-5-8-14(4-2)13-20-17-10-7-6-9-15(17)11-16(12-19)18(20)21/h6-7,9-11,14H,3-5,8,12-13,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one?
3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-ethylhexyl)quinolin-2-one is sourced from PubChem (CID 63021498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).